3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate

C108H97N25O3 — CID 159117027

IUPAC3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate
SMILESCC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.CCOC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.NC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C30H28N6O2.C28H25N7O.C26H24N6.C24H20N6/c1-2-38-29(37)20-7-3-6-19(18-20)24-13-14-25-28(34-24)36(27(35-25)23-8-4-17-33-26(23)31)22-11-9-21(10-12-22)30(32)15-5-16-30;29-24-21(6-2-15-32-24)26-34-23-12-11-22(17-4-1-5-18(16-17)25(30)36)33-27(23)35(26)20-9-7-19(8-10-20)28(31)13-3-14-28;1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17;25-15-16-8-10-18(11-9-16)30-23(19-7-4-14-27-22(19)26)29-21-13-12-20(28-24(21)30)17-5-2-1-3-6-17/h3-4,6-14,17-18H,2,5,15-16,32H2,1H3,(H2,31,33);1-2,4-12,15-16H,3,13-14,31H2,(H2,29,32)(H2,30,36);3-16H,28H2,1-2H3,(H2,27,29);1-14H,15,25H2,(H2,26,27)
InChIKeyKFFHAAIKIZCCCB-UHFFFAOYSA-N
MW1793.14 g/mol
LogP18.53
Rot. Bonds19

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate

3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate (PubChem CID 159117027) has the molecular formula C108H97N25O3 and a molecular weight of 1793.14 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate.

Molecular Properties

Compound Name3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate
PubChem CID159117027
Molecular FormulaC108H97N25O3
Molecular Weight1793.14 g/mol
Exact Mass1791.82
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate
SMILESCC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.CCOC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.NC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C30H28N6O2.C28H25N7O.C26H24N6.C24H20N6/c1-2-38-29(37)20-7-3-6-19(18-20)24-13-14-25-28(34-24)36(27(35-25)23-8-4-17-33-26(23)31)22-11-9-21(10-12-22)30(32)15-5-16-30;29-24-21(6-2-15-32-24)26-34-23-12-11-22(17-4-1-5-18(16-17)25(30)36)33-27(23)35(26)20-9-7-19(8-10-20)28(31)13-3-14-28;1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17;25-15-16-8-10-18(11-9-16)30-23(19-7-4-14-27-22(19)26)29-21-13-12-20(28-24(21)30)17-5-2-1-3-6-17/h3-4,6-14,17-18H,2,5,15-16,32H2,1H3,(H2,31,33);1-2,4-12,15-16H,3,13-14,31H2,(H2,29,32)(H2,30,36);3-16H,28H2,1-2H3,(H2,27,29);1-14H,15,25H2,(H2,26,27)
InChIKeyKFFHAAIKIZCCCB-UHFFFAOYSA-N
XLogP18.53
TPSA451.95 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001793.14
LogP ≤ 518.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate with MolForge

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Related Compounds

6-(2-cyclobutylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
CID 146432640
3,3-Difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridine;ethyl 4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoate;4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzaldehyde
CID 157088310
4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 158033548
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159053315
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159500266
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 161493805
5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 163471150
5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 163529090
CID 163839176
CID 163839176
Methyl 4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]benzoyl]amino]-3-fluorobenzoate
CID 176268199
methyl 3-(3-(4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)azetidine-1-carbonyl)benzoate
CID 176267935

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate?
The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate (CID 159117027) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate.
What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate?
The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate is CC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.CCOC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.NC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate?
The InChIKey is KFFHAAIKIZCCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2.C28H25N7O.C26H24N6.C24H20N6/c1-2-38-29(37)20-7-3-6-19(18-20)24-13-14-25-28(34-24)36(27(35-25)23-8-4-17-33-26(23)31)22-11-9-21(10-12-22)30(32)15-5-16-30;29-24-21(6-2-15-32-24)26-34-23-12-11-22(17-4-1-5-18(16-17)25(30)36)33-27(23)35(26)20-9-7-19(8-10-20)28(31)13-3-14-28;1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17;25-15-16-8-10-18(11-9-16)30-23(19-7-4-14-27-22(19)26)29-21-13-12-20(28-24(21)30)17-5-2-1-3-6-17/h3-4,6-14,17-18H,2,5,15-16,32H2,1H3,(H2,31,33);1-2,4-12,15-16H,3,13-14,31H2,(H2,29,32)(H2,30,36);3-16H,28H2,1-2H3,(H2,27,29);1-14H,15,25H2,(H2,26,27).
What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate?
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate has a molecular weight of 1793.14 g/mol, XLogP of 18.53, 19 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(aminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethyl 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzoate is sourced from PubChem (CID 159117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).